SCHEMBL1948458

SCHEMBL1948458

C[C@@H]1COCCN1C(=O)c1cc(N2CCO[C@H](C(O)C(=O)Nc3ccc4c(c3)CNC4=N)C2=O)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.60
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
IDH1 O75874 1/20 0.32
CCKBR P32239 2/20 0.30
EPHX2 P34913 1/20 0.30
KCNK3 O14649 1/20 0.30
PRMT5 O14744 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12548270 1.00 F9 (0.60) F9ALOX5APFEN1IDH1CCKBR
SCHEMBL1946463 1.00 F9 (0.60) F9ALOX5APFEN1IDH1CCKBR
SCHEMBL1946460 1.00 F9 (0.60) F9ALOX5APFEN1IDH1CCKBR
SCHEMBL12548693 1.00 F9 (0.60) F9ALOX5APFEN1IDH1CCKBR
SCHEMBL1948742 0.90 F9 (0.73) F9ALOX5APFEN1EPHX2
SCHEMBL1949000 0.90 F9 (0.73) F9ALOX5APFEN1EPHX2
Hydrochloric Acid SCHEMBL1948955 0.89 F9 (0.72) F9ALOX5APFEN1EPHX2
SCHEMBL1947611 0.88 F9 (0.66) F9EPHX2
Hydrochloric Acid SCHEMBL1947492 0.87 F9 (0.65) F9EPHX2
SCHEMBL1949657 0.86 F9 (0.59) F9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US claimed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP claimed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885ALOX5AP 978/4885FEN1 1393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.